ACCESSION: MSBNK-BAFG-CSL2311109876
RECORD_TITLE: Pindolol; LC-ESI-QTOF; MS2; 40 V
DATE: 2023.11.10
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: Pindolol
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₁₄H₂₀N₂O₂
CH$EXACT_MASS: 248.1525
CH$SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
CH$IUPAC: InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
CH$LINK: CAS 13523-86-9
CH$LINK: INCHIKEY JZQKKSLKJUAGIC-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 5.148 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 249.1598
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-01bc-3900000000-22afd96d9851dc817b53
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  44.0607 0.8 11
  56.0591 41.9 595
  58.0741 16.8 238
  72.0875 30.6 434
  74.0665 50 710
  77.0441 1.7 24
  79.0599 1.3 18
  80.0546 1.3 18
  84.0851 1.2 17
  89.0423 2.4 34
  91.0585 9.7 137
  98.1003 10.8 153
  100.1155 8.2 116
  103.0587 1.2 17
  104.0532 5.4 76
  105.0611 0.8 11
  106.0681 11.1 157
  107.0526 4.3 61
  115.0579 6.6 93
  116.0515 6.8 96
  116.1097 58.7 834
  117.0705 24.2 343
  118.0676 38.3 544
  127.0566 8.9 126
  128.0567 2.1 29
  129.0606 1.1 15
  129.0725 1 14
  130.0668 7.7 109
  132.047 6.8 96
  132.0832 5.4 76
  133.0535 5 71
  134.0618 55.1 783
  142.0683 1.8 25
  143.0743 10.2 144
  144.0561 0.8 11
  144.0822 70.3 999
  145.0644 2.1 29
  146.0612 31.1 441
  154.0669 3.5 49
  155.0557 1 14
  155.0708 1.1 15
  157.053 2.1 29
  160.0761 2.7 38
  170.0603 3 42
  171.0685 1.2 17
  172.0769 21.7 308
//